element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:34:53      -49.235598        0.1973
BFGS:    1 17:34:53      -49.237231        0.1889
BFGS:    2 17:34:53      -49.254562        0.0432
BFGS:    3 17:34:53      -49.255549        0.0012
BFGS:    4 17:34:53      -49.255550        0.0000
BFGS:    5 17:34:53      -49.255550        0.0000
Minimization converged after 5 steps.
Maximum force component: 6.16621819572026e-31 eV/Angstrom
Maximum stress component: 5.639887118146843e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.28388682e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.42263414e-35]
 [5.00000000e-01 7.50000000e-01 2.84526829e-35]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.61349073e-33 7.50000000e-01]
 [5.00000000e-01 3.64194341e-33 2.50000000e-01]]
cellpar =  Cell([[6.768886969699492, 2.6707845860676274e-32, -3.1484081298172275e-32], [-2.4282201183056207e-33, 6.768886969699492, -1.878612840795996e-18], [-9.349015240495383e-33, -1.8786128407961192e-18, 6.768886969699492]])
forces =  [[ 1.51222264e-31  3.51982857e-32  3.21564585e-32]
 [-4.58881354e-31 -2.78109912e-32 -3.12873651e-32]
 [ 2.43346173e-32 -5.28408832e-31  4.17164867e-32]
 [-3.30255520e-32  6.16621820e-31 -1.39054956e-32]
 [ 3.99782998e-32  3.12873651e-32  5.61434384e-31]
 [-2.78109912e-32 -3.82401128e-32 -1.94676938e-31]
 [-2.78109912e-32  1.11243965e-31 -2.08582434e-32]
 [ 2.08582434e-32 -1.35578582e-31  3.65019259e-32]
 [-2.06844247e-31 -2.95491781e-32 -2.78109912e-32]
 [ 2.36393425e-31  2.78109912e-32  2.78109912e-32]
 [ 2.78109912e-32  2.78109912e-32  5.84030814e-31]
 [-2.95491781e-32 -4.17164867e-32 -2.82346742e-31]]
stress =  [-5.63988712e-11 -5.63988712e-11 -5.63988712e-11 -8.90349523e-27
 -8.96736156e-35 -3.13910483e-50]
energy per atom =  -4.104629155818404
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0